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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333407
CHEMBL2333407
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H11F4NO4S2

Additional synonyms for CHEMBL2333407 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc2ccccc2
Standard InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(1 ...
Download InChI
Standard InChI Key XJNXCEJSOGKOSI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333407

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
397.4 397.0066 1.91 5 94.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.34 - 2.32 2.28 2 25 0.62

Structural Alerts

There are 3 structural alerts for CHEMBL2333407. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XJNXCEJSOGKOSI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333407



BindingDB 50429911
PubChem 71584332
PubChem: Thomson Pharma 163636461
SureChEMBL SCHEMBL15647569
ZINC ZINC000095592172

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XJNXCEJSOGKOSI-UHFFFAOYSA-N spacer
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